Information card for entry 4062235

Structure parameters

• Formula: C30 H43 Ir O P2
• Calculated formula: C30 H43 Ir O P2
• SMILES: [Ir]12([P](CC)(CC)CC)([P](CC)(CC)CC)([C@@]3([C@]1(C3C=C2)c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.
• Authors of publication: Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.19 ± 0.001 Å
• b: 14.014 ± 0.003 Å
• c: 18.878 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2960.3 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No